3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide

C18H22N2O4S — CID 109063753

IUPAC3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O4S/c1-20(16-9-4-3-5-10-16)18(21)15-8-6-11-17(14-15)25(22,23)19-12-7-13-24-2/h3-6,8-11,14,19H,7,12-13H2,1-2H3
InChIKeyJLHMHPMBFMTPSB-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.28
Rot. Bonds8

About 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide

3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide (PubChem CID 109063753) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
PubChem CID109063753
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
SMILESCOCCCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O4S/c1-20(16-9-4-3-5-10-16)18(21)15-8-6-11-17(14-15)25(22,23)19-12-7-13-24-2/h3-6,8-11,14,19H,7,12-13H2,1-2H3
InChIKeyJLHMHPMBFMTPSB-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109059915
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 11978633
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
N-[2-(2-fluorophenyl)ethyl]-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063736
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid
CID 119195487

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide (CID 109063753) is 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide is COCCCNS(=O)(=O)c1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The InChIKey is JLHMHPMBFMTPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(16-9-4-3-5-10-16)18(21)15-8-6-11-17(14-15)25(22,23)19-12-7-13-24-2/h3-6,8-11,14,19H,7,12-13H2,1-2H3.
What are the key properties of 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 109063753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).